1-(chloromethyl)-5-methoxy-3-propylimidazo[1,5-a]pyridine

C12H15ClN2O — CID 112552876

IUPAC1-(chloromethyl)-5-methoxy-3-propylimidazo[1,5-a]pyridine
SMILESCCCc1nc(CCl)c2cccc(OC)n12
InChIInChI=1S/C12H15ClN2O/c1-3-5-11-14-9(8-13)10-6-4-7-12(16-2)15(10)11/h4,6-7H,3,5,8H2,1-2H3
InChIKeyYERJNHAUMABULF-UHFFFAOYSA-N
MW238.72 g/mol
LogP3.03
Rot. Bonds4

About 1-(chloromethyl)-5-methoxy-3-propylimidazo[1,5-a]pyridine

1-(chloromethyl)-5-methoxy-3-propylimidazo[1,5-a]pyridine (PubChem CID 112552876) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 1-(chloromethyl)-5-methoxy-3-propylimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-(chloromethyl)-5-methoxy-3-propylimidazo[1,5-a]pyridine
PubChem CID112552876
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name1-(chloromethyl)-5-methoxy-3-propylimidazo[1,5-a]pyridine
SMILESCCCc1nc(CCl)c2cccc(OC)n12
InChIInChI=1S/C12H15ClN2O/c1-3-5-11-14-9(8-13)10-6-4-7-12(16-2)15(10)11/h4,6-7H,3,5,8H2,1-2H3
InChIKeyYERJNHAUMABULF-UHFFFAOYSA-N
XLogP3.03
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(chloromethyl)-5-methoxy-3-methylimidazo[1,5-a]pyridine
CID 112552824
3-ethyl-5-methoxyimidazo[1,5-a]pyridine-1-sulfonamide
CID 112552261
3-ethyl-5-methoxy-N-propan-2-ylimidazo[1,5-a]pyridine-1-sulfonamide
CID 112552313
1-(1-bromo-5-methoxyimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-2-amine
CID 117253182
methyl 3-(2-hydroxypropyl)-5-methoxyimidazo[1,5-a]pyridine-1-carboxylate
CID 117252733
5-chloro-4-[(2-propylbenzimidazol-1-yl)methyl]thiadiazole
CID 112683284
1-chloro-3-(2-methoxyethyl)-5-methylimidazo[1,5-a]pyridine
CID 117250259
1-chloro-5-methoxyimidazo[1,5-a]pyridine-3-carboxylic acid
CID 117253321
(5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl)methanol
CID 115018979
3,4-dimethyl-1-propylimidazo[1,5-a]quinoxaline
CID 42629095
1-benzyl-2-propylbenzimidazole
CID 764560
1-[(2-methoxy-3-pyridinyl)methyl]-2-propylbenzimidazole
CID 116627019

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-5-methoxy-3-propylimidazo[1,5-a]pyridine?
The IUPAC name of 1-(chloromethyl)-5-methoxy-3-propylimidazo[1,5-a]pyridine (CID 112552876) is 1-(chloromethyl)-5-methoxy-3-propylimidazo[1,5-a]pyridine.
What is the SMILES notation for 1-(chloromethyl)-5-methoxy-3-propylimidazo[1,5-a]pyridine?
The canonical SMILES for 1-(chloromethyl)-5-methoxy-3-propylimidazo[1,5-a]pyridine is CCCc1nc(CCl)c2cccc(OC)n12.
What is the InChIKey of 1-(chloromethyl)-5-methoxy-3-propylimidazo[1,5-a]pyridine?
The InChIKey is YERJNHAUMABULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-3-5-11-14-9(8-13)10-6-4-7-12(16-2)15(10)11/h4,6-7H,3,5,8H2,1-2H3.
What are the key properties of 1-(chloromethyl)-5-methoxy-3-propylimidazo[1,5-a]pyridine?
1-(chloromethyl)-5-methoxy-3-propylimidazo[1,5-a]pyridine has a molecular weight of 238.72 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-5-methoxy-3-propylimidazo[1,5-a]pyridine is sourced from PubChem (CID 112552876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).